Sailu Sarvagalla

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• Implementation of sequence & structure search and alignment modules
• Execution of Computer-Aided-Drug Design (CADD) techniques
• Experience in handling of Schrödinger and Discovery Studio software suit modules
• Execution of docking programs i.e. protein-ligand, protein-protein and protein-DNA/RNA docking
• Handling of molecular dynamics simulation modules i.e. AMBER and Gromacs software suits
• Linux scripting, basics of python and R
• Computer applications (e.g. Windows, Linux, MS office and Excel etc.),
• DNA/RNA isolation and their library preparation, Polymerase chain reaction (PCR), cloning and gene expression, Western blot, Co-immunoprecipitation (Co-IP) and enzyme based methods, Animal cell culture techniques

• DBT-Research Associate-II, IISER Tirupati, 07/2020 - present
• DBT-Research Associate-I, IISER Tirupati, 07/2019 - 06/2020
• Postdoctoral Research Fellow, IISER Tirupati, 06/2018 - 06/2019
• Senior Research Fellow (SRF), Pondicherry University, 2014 - 2017
• Junior Research Fellow (JRF), Pondicherry University, 2012 - 2014

Presently, I am working on NF-kB signalling pathway associated with cancer. The research project aim is to design and develop small molecule /peptidomimetic inhibitors for disruption of YY1-RelA protein-protein interaction (PPI) in Multiple Myeloma (MM) cells. To this end, I have used molecular biology and computational techniques (i.e., molecular modelling, docking and MD simulation etc.) for the identification of YY1 and RelA domains that essential for YY1-RelA complex formation. Next, the identified domain of YY1 and RelA were used as peptide to disrupt the full length YY1-RelA interaction using computational and biochemical methods (Unpublished data). Further, I would like to design and develop a potent lead molecule based on the identified peptide using structure based drug design methods. My doctoral thesis entitled "Targeting the cell cycle for cancer treatment: Computational approaches for the inhibition of Aurora kinase and Survivin". In this dissertation, I have extensively used structure and ligand based drug design techniques (i.e. docking, virtual screening, pharmacophore screening etc.) and biochemical methods to identify potential lead molecule for the inhibition of Aurora kinase and Survivin. Further, to rationalize the experimental findings, I have used molecular modeling and dynamics methods (i.e. Homology modelling, protein-protein docking, MD simulation techniques) to understand the Survivin interaction with apoptosis proteins (i.e. caspase-3, -7 and -9) and Autophagy-related proteins (i.e. Atg5, Atg12 and Atg5-Atg12) respectively.

• Survivin - Caspase protein-protein interaction: experimental evidence and computational investigations to decipher the hot spot residues for drug targeting, Journal of Molecular Structure, 2020, 10.1016/j.molstruc.2020.129619, 2.463
• Repurposing antispasmodic drug Papaverine for the treatment of chronic myeloid leukaemia, Pharmacological Reports, 2020, In Press, Ref No: PREP-D-20-00144R2, 2.754
• Chapter 11: Resources for docking-based virtual screening, Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications, ELSEVIER, 2020, 9780128223123
• Chapter 23: Docking-based virtual screening using PyRx tool: autophagy target VPS34 as a case study, Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications, ELSEVIER, 2020, 9780128223123
• The two sides of YY1 in cancer: A friend and foe, Front Oncol, 2019, 10.3389/fonc.2019.01230, 4.416
• Survivin is a novel Atg12-Atg5 conjugate interactor and an autophagy-induced DNA damage suppressor in human cancer and mouse embryonic fibroblast cells, Autophagy, 2019, 10.1080/15548627.2019.167164, 11.10
• Cloning, expression, and purification of the recombinant pro-apoptotic dominant-negative survivin T34A-C84A protein in Escherichia coli, Protein Expr Purif, 2019, 10.1016/j.pep.2019.04.003, 1.338
• Targeting autophagy with small molecules for cancer therapy, J Cancer Metastasis Treat, 2019, 10.20517/2394-4722.2018.105
• An Overview of Computational Methods, Tools, Servers and Databases for Drug Repurposing, In Silico Drug Design: Repurposing Techniques and Methodologies, Elsevier, 2019, 9780128161258
• Identification of a novel leukemic-specific splice variant of DNMT3B and its stability, Medical Oncology, 2017, 34, 8, 145, 10.1007/s12032-017-1008-0, 2.92
• Identification of Novel Natural Bcr-Abl Inhibitor for the treatment of Chronic Myeloid Leukemia, Chem Biol Drug Des, 2017, 90, 4, 596-608, 10.1111/cbdd.12983, 2.328
• Disruption of Protein-Protein Interaction: Hotspot detection and structure-based drug design for anti-cancer drug target -Survivin, RSC Advances, 2016, 6, 38, 31947-31959, 10.1039/C5RA22927H, 2.936
• Identification of ligand efficient fragment-like hits from HTS library: Structure-based virtual screening and docking investigations of 2H- and 3H-pyrazolo tautomers for Aurora kinase A selectivity, J. Comput. Aided Mol. Des., 2015, 29, 1, 89-100, 10.1007/s10822-014-9807-2, 2.356
• Therapeutic polymeric nanoparticles and the methods of making and using thereof: a patent evaluation of WO2015036792, Expert Opinion on Therapeutic Patents, 2016, 26, 7, 751-755, 2.867
• Structural Biology Insight for the Design of Sub-type Selective Aurora Kinase Inhibitors, Curr. Cancer Drug. Targets, 2015, 15, 5, 375-393, 2.626, 10.2174/1568009615666150421110401
• Treat cancers by targeting survivin: just a dream or future reality?, Cancer treatment reviews, 2013, 39, 7, 802-811, 8.122, 10.1016/j.ctrv.2013.02.002
• Aurora kinase inhibitor patents and agents in clinical testing: An update (2011-13), Expert Opin. Ther. Pat., 2014, 24, 9, 1021-1038, 2.867, 10.1517/13543776.2014.931374
• Protein-protein interactions (PPIs) as an alternative to targeting the ATP binding site of kinase: In silico approach to identify PPI inhibitors, Applied Case Studies and Solutions in Molecular Docking-Based Drug Design, 2016, 29, 10.4018/978-1-5225-0362-0.ch010, 9781522503620

• Dr. S. Mohane Coumar, Assistant Professor, Centre for Bioinformatics, Pondicherry University, Puducherry-605014, mohane@bicpu.edu.in, +914132654950
• Dr. A. Murali, Assistant Professor, Centre for Bioinformatics, Pondicherry University, Puducherry-605014, mayaluru@gmail.com, +914132654949
• Dr. Dinakar R. Ampasala, Professor, Centre for Bioinformatics, Pondicherry University, Puducherry-605014, ampasaladr@bicpu.edu.in, +914132654946
• Dr. Sreenivas Chavali, Assistant Professor, Division of Biology, IISER Tirupati, Tirupati-507517, schavali@iisertirupati.ac.in, +91 7893611849

• Structural Bioinformatics, Molecular Modelling & Dynamics of Biomolecular Interactions
• Computer-Aided Drug Design (CADD)- i.e. Application of Structure and Ligand Based Drug Design Techniques
• Hit to Lead Optimization and Development
• Drug Repurposing and Polypharmacology
• Cheminformatics
• Machine learning based-drug discovery
• Genomics, Proteomics and Next Generation Sequence (NGS) Analysis
• Protein-Protein Interaction (PPI) Network Analysis
• Molecular and Cancer Biology